Compound Detail
CHEMBL473386
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CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CC4CC(CC(CC(=O)O)(C4)C2)C3)cc1
Basic Information
| ChEMBL ID | CHEMBL473386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDXLLEOUOOXMHS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.66
ALogP
6
HBA
2
HBD
110.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillo... | 19256504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19256504 | 10.1021/jm801507v | Diacylglycerol O-acyltransferase 1 | 2 |
| 19256504 | 10.1021/jm801507v | Diacylglycerol O-acyltransferase 2 | 1 |
| 19256504 | 10.1021/jm801507v | Sterol O-acyltransferase 1 | 1 |
| 19256504 | 10.1021/jm801507v | HuTu80 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine